SCHEMBL9753940

SCHEMBL9753940

c1ccc(Nc2ncccc2CSc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
DHODH Q02127 2/20 0.47
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
GRM4 Q14833 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
PDGFRB P09619 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
HTR6 P50406 1/20 0.38
TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9469355 0.90 KMT2A (0.51) BRD4DHODHKMT2AMAPTMEN1
SCHEMBL4690949 0.86 GRM4 (0.45) BRD4DHODHALDH1A1KMT2AMAPT
SCHEMBL9754131 0.80 DHODH (0.42) BRD4DHODHALDH1A1KMT2AMEN1
SCHEMBL5252795 0.78 DHODH (0.51) DHODHALDH1A1GAAKMT2AMAPT
SCHEMBL1908379 0.78 DHODH (0.56) DHODHALDH1A1GAAKMT2AMAPT
SCHEMBL1375014 0.78 DHODH (0.56) DHODHALDH1A1GAAKMT2AMAPT
SCHEMBL9470451 0.78 DHODH (0.51) DHODHALDH1A1GAAKMT2AMAPT
SCHEMBL9074261 0.77 CYP1A2 (0.47) DHODHALDH1A1GAAKMT2AMAPT
SCHEMBL9469965 0.77 DHODH (0.48) DHODHALDH1A1GAAKMT2AMAPT
SCHEMBL3633702 0.74 DHODH (0.51) DHODHALDH1A1GAAKMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991018902-A1 SUBSTITUTED 1-H-PYRROLO[2,3-b]PYRIDINE-3-CARBOXAMIDES SCHERING CORPORATION (US) 1991-12-12 WO disclosed
US-5023265-A Antiinflammatory agent; inhibits both 5-lipoxygenase and cyclooxygenase; rheumatoid arthritis, bursitis, tendonitis, gout; side effect reduction SCHERING CORPORATION (US) 1991-06-11 US disclosed